|
Rosetta 3.5
|
All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Macros Pages
|
Rosetta 3.5
|
Score based on the distance between Cb. More...
#include <CentroidDisulfidePotential.hh>
Public Member Functions | |
| Cb_Distance_Func () | |
| virtual | ~Cb_Distance_Func () |
| constraints::FuncOP | clone () const |
| virtual core::Real | func (core::Real const ) const |
| Returns a value representing this function evaluated at a given point. More... | |
| virtual core::Real | dfunc (core::Real const ) const |
| Returns a value representing the derivative of this function evaluated at a given point. More... | |
 Public Member Functions inherited from core::scoring::constraints::Func | |
| virtual | ~Func () |
| Automatically generated virtual destructor for class deriving directly from ReferenceCount. More... | |
| virtual void | read_data (std::istream &) |
| initialize this Func from the given std::istream. More... | |
| virtual Real | estimate_dfunc (Real const r) const |
| Estimates the derivative of this function at a given radius by calculating the slope of the secant line from func(r) and func(r+1e-05). More... | |
| virtual Real | estimate_dfunc (Real const r, Real const h) const |
| Estimates the derivative of this function at a given radius by calculating the slope of the secant line from func(r) and func(r+h). More... | |
| virtual void | show (std::ostream &out) const |
| Prints out space-delimited columns for r, func, dfunc and dfunc_est. The values for func, dfunc and dfunc_est are plotted as a function of r, which is varied from 2-20 in steps of 0.5. The value for dfunc_est is the estimated by the method estimate_dfunc( r ). More... | |
| virtual void | show_definition (std::ostream &out) const |
| shows the definition of this function, usually the string type of function and the parameters passed in to the constructor. More... | |
| virtual Size | show_violations (std::ostream &out, Real r, Size verbose_level, Real threshold=1) const |
| show some sort of stringified representation of the violations for this constraint. More... | |
Static Private Attributes | |
| static const Real | means_ [3] = { 12.445, 15.327, 14.0 } |
| static const Real | sds_ [3] = { 1.1737973, 2.1955666, 0.3535534 } |
| static const Real | weights_ [3] = {10.8864116, 33.5711622, 0.2658681 } |
| static const Real | base_score_ = 0.0 |
Score based on the distance between Cb.
Based on the rosetta++ scores by Bill Schief in 2002.
Uses a sum of three gaussians.
Definition at line 141 of file CentroidDisulfidePotential.hh.
| core::scoring::disulfides::Cb_Distance_Func::Cb_Distance_Func | ( | ) |
Definition at line 355 of file CentroidDisulfidePotential.cc.
Referenced by clone().
|
virtual |
Definition at line 356 of file CentroidDisulfidePotential.cc.
|
inlinevirtual |
Implements core::scoring::constraints::Func.
Definition at line 146 of file CentroidDisulfidePotential.hh.
References Cb_Distance_Func().
|
virtual |
Returns a value representing the derivative of this function evaluated at a given point.
Implements core::scoring::constraints::Func.
Definition at line 366 of file CentroidDisulfidePotential.cc.
|
virtual |
Returns a value representing this function evaluated at a given point.
Implements core::scoring::constraints::Func.
Definition at line 357 of file CentroidDisulfidePotential.cc.
References core::scoring::constraints::dgaussian().
|
staticprivate |
Definition at line 156 of file CentroidDisulfidePotential.hh.
|
staticprivate |
Definition at line 151 of file CentroidDisulfidePotential.hh.
|
staticprivate |
Definition at line 152 of file CentroidDisulfidePotential.hh.
|
staticprivate |
Definition at line 154 of file CentroidDisulfidePotential.hh.
1.8.4